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Home > Indoles and Oxindole > 19691-96-4
19691-96-4 | 2-(1h-1,2,4-triazol-5-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
CAS No: 19691-96-4 Catalog No: AG0073M1 MDL No:
Product Description
Catalog Number:
AG0073M1
Chemical Name:
2-(1h-1,2,4-triazol-5-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
CAS Number:
19691-96-4
Molecular Formula:
C10H10N4O3
Molecular Weight:
234.2114
IUPAC Name:
2-(1H-1,2,4-triazol-5-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
InChI:
InChI=1S/C10H10N4O3/c15-8-6-4-1-2-5(17-4)7(6)9(16)14(8)10-11-3-12-13-10/h3-7H,1-2H2,(H,11,12,13)
InChI Key:
ZDXFUBJJRSBXTC-UHFFFAOYSA-N
SMILES:
O=C1C2C3CCC(C2C(=O)N1c1ncn[nH]1)O3
NSC Number:
80814
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.215g/mol
Monoisotopic Mass:
234.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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